REMARK Name = BDB005054 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.141 -1.629 -1.353 0.00 0.00 +0.138 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.165 -1.618 -0.594 0.00 0.00 -0.029 A ATOM 3 C LIG 1 -1.862 -0.409 -0.409 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -3.066 -0.348 0.314 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -3.553 -1.538 0.860 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -2.869 -2.747 0.694 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -1.679 -2.789 -0.028 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -3.694 0.903 0.460 0.00 0.00 -0.298 N ATOM 9 H LIG 1 -3.251 1.636 -0.070 0.00 0.00 +0.154 HD BRANCH 8 10 ATOM 10 C LIG 1 -4.792 1.322 1.221 0.00 0.00 +0.152 A ATOM 11 C LIG 1 -5.274 2.625 1.155 0.00 0.00 +0.126 A ATOM 12 C LIG 1 -6.349 3.026 1.930 0.00 0.00 +0.183 A ATOM 13 N LIG 1 -6.652 4.345 1.716 0.00 0.00 -0.216 NA ATOM 14 C LIG 1 -5.785 4.752 0.818 0.00 0.00 +0.199 A ATOM 15 N LIG 1 -6.994 2.216 2.784 0.00 0.00 -0.214 NA ATOM 16 C LIG 1 -6.481 0.982 2.800 0.00 0.00 +0.225 A ATOM 17 N LIG 1 -4.935 3.748 0.445 0.00 0.00 -0.340 N ATOM 18 H LIG 1 -4.192 3.830 -0.232 0.00 0.00 +0.167 HD ATOM 19 N LIG 1 -5.443 0.506 2.083 0.00 0.00 -0.218 NA ENDBRANCH 8 10 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 N LIG 1 1.191 -1.142 -0.467 0.00 0.00 -0.324 N ATOM 21 H LIG 1 1.225 -1.703 0.380 0.00 0.00 +0.148 HD BRANCH 20 25 ATOM 22 C LIG 1 5.952 -0.301 -0.092 0.00 0.00 +0.063 A ATOM 23 C LIG 1 4.836 -0.666 -0.876 0.00 0.00 +0.088 A ATOM 24 C LIG 1 3.577 -0.695 -0.244 0.00 0.00 +0.041 A ATOM 25 C LIG 1 2.479 -1.085 -1.040 0.00 0.00 +0.130 A ATOM 26 N LIG 1 2.606 -1.369 -2.344 0.00 0.00 -0.220 NA ATOM 27 C LIG 1 3.834 -1.301 -2.853 0.00 0.00 +0.223 A ATOM 28 C LIG 1 3.459 -0.339 1.123 0.00 0.00 +0.013 A ATOM 29 C LIG 1 4.569 0.017 1.876 0.00 0.00 +0.002 A ATOM 30 N LIG 1 4.947 -0.978 -2.187 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 5.814 0.031 1.269 0.00 0.00 +0.015 A BRANCH 22 35 ATOM 32 N LIG 1 7.548 -0.494 -1.954 0.00 0.00 -0.325 N ATOM 33 H LIG 1 8.491 -0.485 -2.316 0.00 0.00 +0.145 HD ATOM 34 H LIG 1 6.776 -0.764 -2.556 0.00 0.00 +0.145 HD ATOM 35 C LIG 1 7.348 -0.241 -0.629 0.00 0.00 +0.244 C ATOM 36 O LIG 1 8.302 0.027 0.092 0.00 0.00 -0.270 OA ENDBRANCH 22 35 ENDBRANCH 20 25 ENDBRANCH 1 20 TORSDOF 6